clozapine

Ligand id: 38

Name: clozapine

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: clozapine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 30.87
Molecular weight 326.13
XLogP 4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
IUPAC Name
6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene
International Nonproprietary Names
INN number INN
2612 clozapine
Synonyms
Clorazil® | HF-1854
Database Links
BindingDB Ligand 50001884
CAS Registry No. 5786-21-0 (source: DrugBank)
ChEMBL Ligand CHEMBL42
DrugBank Ligand DB00363
GtoPdb PubChem SID 135650115
PubChem CID 2818
Search Google for chemical match using the InChIKey QZUDBNBUXVUHMW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QZUDBNBUXVUHMW
Search PubMed clinical trials clozapine
Search PubMed titles clozapine
Search PubMed titles/abstracts clozapine
Search UniChem for chemical match using the InChIKey QZUDBNBUXVUHMW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QZUDBNBUXVUHMW
Wikipedia Clozapine
Comments
Note that PubChem CID 2818 has different double bond structure on the central heptane ring which results in a different InChIKey. Our structure is an exact match for the chemical structure in the INN record for this compound.

The major active metabolite of clozapine is N-desmethylclozapine.